3-fluoro-N-[4-(5-methoxy-1,3-benzoxazol-2-yl)phenyl]benzamide

C21H15FN2O3 — CID 5234955

IUPAC3-fluoro-N-[4-(5-methoxy-1,3-benzoxazol-2-yl)phenyl]benzamide
SMILESCOc1ccc2oc(-c3ccc(NC(=O)c4cccc(F)c4)cc3)nc2c1
InChIInChI=1S/C21H15FN2O3/c1-26-17-9-10-19-18(12-17)24-21(27-19)13-5-7-16(8-6-13)23-20(25)14-3-2-4-15(22)11-14/h2-12H,1H3,(H,23,25)
InChIKeyOGPSAJNRZZAJQO-UHFFFAOYSA-N
MW362.36 g/mol
LogP4.89
Rot. Bonds4

About 3-fluoro-N-[4-(5-methoxy-1,3-benzoxazol-2-yl)phenyl]benzamide

3-fluoro-N-[4-(5-methoxy-1,3-benzoxazol-2-yl)phenyl]benzamide (PubChem CID 5234955) has the molecular formula C21H15FN2O3 and a molecular weight of 362.36 g/mol. Its IUPAC name is 3-fluoro-N-[4-(5-methoxy-1,3-benzoxazol-2-yl)phenyl]benzamide.

Molecular Properties

Compound Name3-fluoro-N-[4-(5-methoxy-1,3-benzoxazol-2-yl)phenyl]benzamide
PubChem CID5234955
Molecular FormulaC21H15FN2O3
Molecular Weight362.36 g/mol
Exact Mass362.11
IUPAC Name3-fluoro-N-[4-(5-methoxy-1,3-benzoxazol-2-yl)phenyl]benzamide
SMILESCOc1ccc2oc(-c3ccc(NC(=O)c4cccc(F)c4)cc3)nc2c1
InChIInChI=1S/C21H15FN2O3/c1-26-17-9-10-19-18(12-17)24-21(27-19)13-5-7-16(8-6-13)23-20(25)14-3-2-4-15(22)11-14/h2-12H,1H3,(H,23,25)
InChIKeyOGPSAJNRZZAJQO-UHFFFAOYSA-N
XLogP4.89
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.36
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-N-[4-(5-methoxy-1,3-benzoxazol-2-yl)phenyl]benzamide
CID 4672892
4-methoxy-N-[4-(5-methoxy-1,3-benzoxazol-2-yl)phenyl]benzamide
CID 5017384
2,3,5,6-tetrafluoro-4-methoxy-N-[4-(5-methoxy-1,3-benzoxazol-2-yl)phenyl]benzamide
CID 17110623
N-[3-(5-methoxy-1,3-benzoxazol-2-yl)phenyl]benzamide
CID 953822
2,3,4,5,6-pentafluoro-N-[2-(4-methoxyphenyl)-1,3-benzoxazol-5-yl]benzamide
CID 4135318
N-[2-(4-methoxyphenyl)-1,3-benzoxazol-5-yl]pyridine-4-carboxamide
CID 25187792
N-[4-(5-methoxy-1,3-benzoxazol-2-yl)phenyl]-4-(2-methylpropoxy)benzamide
CID 3969096
3,4-dichloro-N-[2-(4-methoxyphenyl)-1,3-benzoxazol-5-yl]benzamide
CID 1338100
N-[3-(5-methoxy-1,3-benzoxazol-2-yl)phenyl]naphthalene-2-carboxamide
CID 4665629
N-[4-(5-methoxy-1,3-benzoxazol-2-yl)phenyl]-2-methylpropanamide
CID 5017704
4-ethyl-N-[2-(4-methoxyphenyl)-1,3-benzoxazol-5-yl]benzamide
CID 29243131
3-fluoro-N-(2-pyridin-3-yl-1,3-benzoxazol-5-yl)benzamide
CID 2996567

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[4-(5-methoxy-1,3-benzoxazol-2-yl)phenyl]benzamide?
The IUPAC name of 3-fluoro-N-[4-(5-methoxy-1,3-benzoxazol-2-yl)phenyl]benzamide (CID 5234955) is 3-fluoro-N-[4-(5-methoxy-1,3-benzoxazol-2-yl)phenyl]benzamide.
What is the SMILES notation for 3-fluoro-N-[4-(5-methoxy-1,3-benzoxazol-2-yl)phenyl]benzamide?
The canonical SMILES for 3-fluoro-N-[4-(5-methoxy-1,3-benzoxazol-2-yl)phenyl]benzamide is COc1ccc2oc(-c3ccc(NC(=O)c4cccc(F)c4)cc3)nc2c1.
What is the InChIKey of 3-fluoro-N-[4-(5-methoxy-1,3-benzoxazol-2-yl)phenyl]benzamide?
The InChIKey is OGPSAJNRZZAJQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15FN2O3/c1-26-17-9-10-19-18(12-17)24-21(27-19)13-5-7-16(8-6-13)23-20(25)14-3-2-4-15(22)11-14/h2-12H,1H3,(H,23,25).
What are the key properties of 3-fluoro-N-[4-(5-methoxy-1,3-benzoxazol-2-yl)phenyl]benzamide?
3-fluoro-N-[4-(5-methoxy-1,3-benzoxazol-2-yl)phenyl]benzamide has a molecular weight of 362.36 g/mol, XLogP of 4.89, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[4-(5-methoxy-1,3-benzoxazol-2-yl)phenyl]benzamide is sourced from PubChem (CID 5234955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).